2-[(5-chloranyl-1-methyl-3-pyridin-4-yl-pyrazol-4-yl)methylsulfanyl]-N-naphthalen-2-yl-benzamide

Systemtic Name: 2-[(5-chloranyl-1-methyl-3-pyridin-4-yl-pyrazol-4-yl)methylsulfanyl]-N-naphthalen-2-yl-benzamide Openeye Name: 2-[[5-chloro-1-methyl-3-(4-pyridyl)pyrazol-4-yl]methylsulfanyl]-N-(2-naphthyl)benzamide CAS Name: 2-[(5-chloro-1-methyl-3-pyridin-4-yl-4-pyrazolyl)methylthio]-N-(2-naphthalenyl)benzamide IUPAC Name: 2-[(5-chloro-1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylsulfanyl]-N-naphthalen-2-ylbenzamide Traditional Name: 2-[[5-chloro-1-methyl-3-(4-pyridyl)pyrazol-4-yl]methylthio]-N-(2-naphthyl)benzamide Formula: C27H21ClN4OS MolecularWeight: 484.99984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=NC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5C=C4)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=NC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5C=C4)Cl

InChI

InChI=1S/C27H21ClN4OS/c1-32-26(28)23(25(31-32)19-12-14-29-15-13-19)17-34-24-9-5-4-8-22(24)27(33)30-21-11-10-18-6-2-3-7-20(18)16-21/h2-16H,17H2,1H3,(H,30,33)